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Cholesterol Pelargonate, ≥93%

Cholesterol Pelargonate, ≥93%

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Catalog Number

ACM1182667-2

CAS Number

1182-66-7

Product Name

Cholesterol Pelargonate, ≥93%

Structure

Category

Liquid Crystal (LC) Materials

IUPAC Name

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate

Molecular Weight

526.9g/mol

Molecular Formula

C36H62O2

Canonical SMILES

CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChI

InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1

InChI Key

WCLNGBQPTVENHV-MKQVXYPISA-N

Complexity

797

Covalently-Bonded Unit Count

1

EC Number

214-658-3

Exact Mass

526.474981g/mol

Formal Charge

0

Heavy Atom Count

38

MeSH Entry Terms

cholesteryl nonanoate;cholesteryl pelargonate

Monoisotopic Mass

526.474981g/mol

Rotatable Bond Count

14

UNII

4313O7P4XW

XLogP3

12.7

MSDS

COA

Spec Sheet

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